________________________________________ From: Mailing list for users of COOT Crystallographic Software [[email protected]] On Behalf Of Scott Horowitz [[email protected]] Sent: 10 October 2010 15:59 To: [email protected] Subject: mutate to unnatural amino acid
I'm trying to solve a structure with an unnatural amino acid not in the coot or ccp4 libraries, and I'd like to be able to mutate a preliminary structure to have this amino acid for further refinement. I successfully created a .cif file using libcheck and sketcher in CCP4 (specified when created to be an L-peptide), and by converting this to a SMILES file, was able to load it into coot and see it on the screen. I am also able to directly import the residue by clicking "import cif dictionary", and importing the files created using libcheck and sketcher. The following things are true either way I import the residue: In coot, when i go to edit restraints, it recognizes the residue, and I can make changes; however, when I open the simple mutate window, the unnatural amino acid I have imported does not show up. Is there another way to do this? ----- Yes , if you have a non-standard residue/monomer, you need to use Extensions -> Modelling -> Replace Residue... Section 5.17.3 in the Manual. Paul (from wretched Microsoft web mail)
